HRID281852

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID94429

Triphosgene

C3Cl6O3

HCID3613651

3-(Pyrrolidin-3-yl)pyridine

C9H12N2

HCID16244461

Methyl 3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate

C10H11NO3

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(c1)N(C(=O)N1CCC(c3cccnc3)C1)CCO2

HCID67187798

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93fa94e5f18a4435bba3272865c26d4a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH:15]([N:16]([CH:17]([CH3:18])[CH3:19])[CH2:20][CH3:21])([CH3:22])[CH3:23].[Cl:24][C:25]([Cl:26])([O:27][C:28]([O:29][C:30]([Cl:31])([Cl:32])[Cl:33])=[O:34])[Cl:35].[Cl:52][CH2:53][Cl:54].[NH:36]1[CH2:37][CH:38]([c:41]2[cH:42][n:43][cH:44][cH:45][cH:46]2)[CH2:39][CH2:40]1.[Na+:47].[O:1]1[CH2:2][CH2:3][NH:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([C:11](=[O:12])[O:13][CH3:14])[cH:10]2.[OH:48][C:49](=[O:50])[O-:51]>>[O:1]1[CH2:2][CH2:3][N:4]([C:28](=[O:34])[N:36]2[CH2:37][CH:38]([c:41]3[cH:42][n:43][cH:44][cH:45][cH:46]3)[CH2:39][CH2:40]2)[c:5]2[c:6]1[cH:7][cH:8][c:9]([C:11](=[O:12])[O:13][CH3:14])[cH:10]2